#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/29/4062914.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4062914
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497588
_journal_year                    2004
_chemical_formula_sum            'C88 H124 O8 P4 Pd4'
_chemical_formula_weight         1859.35
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.130(2)
_cell_angle_beta                 89.660(2)
_cell_angle_gamma                97.270(3)
_cell_formula_units_Z            2
_cell_length_a                   13.0220(10)
_cell_length_b                   18.4660(10)
_cell_length_c                   18.6050(10)
_cell_measurement_temperature    120(2)
_cell_volume                     4135.7(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.493
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4062914
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.553184(18) 0.730326(14) 0.278989(14) 0.01832(6) Uani 1 1 d . . .
Pd2 Pd 0.349445(18) 0.784972(14) 0.235688(14) 0.01921(6) Uani 1 1 d . . .
P1 P 0.32501(6) 0.82973(5) 0.14144(5) 0.02000(18) Uani 1 1 d . . .
P2 P 0.60812(6) 0.73577(5) 0.39454(5) 0.02033(18) Uani 1 1 d . . .
O1 O 0.40177(16) 0.74469(13) 0.31917(13) 0.0226(5) Uani 1 1 d . . .
C1 C 0.3616(2) 0.68014(18) 0.33191(18) 0.0189(7) Uani 1 1 d . . .
C2 C 0.4025(2) 0.66893(18) 0.39561(19) 0.0200(7) Uani 1 1 d . . .
C3 C 0.3627(2) 0.60287(19) 0.41163(19) 0.0219(7) Uani 1 1 d . . .
C4 C 0.2877(3) 0.54813(19) 0.3639(2) 0.0252(7) Uani 1 1 d . . .
H4 H 0.2614 0.5043 0.3750 0.030 Uiso 1 1 calc R . .
C5 C 0.2514(3) 0.5586(2) 0.2989(2) 0.0268(8) Uani 1 1 d . . .
H5 H 0.2016 0.5209 0.2659 0.032 Uiso 1 1 calc R . .
C6 C 0.2879(2) 0.62378(19) 0.28237(19) 0.0226(7) Uani 1 1 d . . .
H6 H 0.2634 0.6300 0.2384 0.027 Uiso 1 1 calc R . .
O2 O 0.40565(17) 0.59743(13) 0.47617(14) 0.0261(5) Uani 1 1 d . . .
C7 C 0.3630(3) 0.5342(2) 0.4980(2) 0.0376(10) Uani 1 1 d . . .
H7A H 0.2923 0.5396 0.5112 0.056 Uiso 1 1 calc R . .
H7B H 0.4022 0.5346 0.5417 0.056 Uiso 1 1 calc R . .
H7C H 0.3657 0.4857 0.4557 0.056 Uiso 1 1 calc R . .
C8 C 0.4872(2) 0.72815(18) 0.44417(18) 0.0213(7) Uani 1 1 d . . .
H8A H 0.5020 0.7150 0.4887 0.026 Uiso 1 1 calc R . .
H8B H 0.4629 0.7790 0.4629 0.026 Uiso 1 1 calc R . .
O3 O 0.48137(16) 0.73687(12) 0.18134(13) 0.0208(5) Uani 1 1 d . . .
C11 C 0.4470(2) 0.67800(19) 0.11737(19) 0.0209(7) Uani 1 1 d . . .
C12 C 0.4440(3) 0.6004(2) 0.1096(2) 0.0254(7) Uani 1 1 d . . .
H12 H 0.4666 0.5874 0.1501 0.030 Uiso 1 1 calc R . .
C13 C 0.4074(3) 0.5434(2) 0.0416(2) 0.0288(8) Uani 1 1 d . . .
H13 H 0.4056 0.4912 0.0365 0.035 Uiso 1 1 calc R . .
C14 C 0.3728(3) 0.5602(2) -0.0198(2) 0.0288(8) Uani 1 1 d . . .
H14 H 0.3492 0.5202 -0.0659 0.035 Uiso 1 1 calc R . .
C15 C 0.3740(2) 0.6372(2) -0.01165(19) 0.0232(7) Uani 1 1 d . . .
C16 C 0.4107(2) 0.69703(18) 0.05653(19) 0.0204(7) Uani 1 1 d . . .
O4 O 0.33967(18) 0.66091(14) -0.06800(13) 0.0286(5) Uani 1 1 d . . .
C17 C 0.2960(4) 0.6023(3) -0.1364(3) 0.0556(14) Uani 1 1 d . . .
H17A H 0.3472 0.5696 -0.1612 0.083 Uiso 1 1 calc R . .
H17B H 0.2725 0.6262 -0.1702 0.083 Uiso 1 1 calc R . .
H17C H 0.2385 0.5712 -0.1245 0.083 Uiso 1 1 calc R . .
C18 C 0.4121(2) 0.78074(19) 0.06811(19) 0.0219(7) Uani 1 1 d . . .
H18A H 0.3927 0.7849 0.0196 0.026 Uiso 1 1 calc R . .
H18B H 0.4821 0.8074 0.0829 0.026 Uiso 1 1 calc R . .
C21 C 0.6863(2) 0.71551(19) 0.23046(18) 0.0216(7) Uani 1 1 d . . .
C22 C 0.7615(3) 0.7793(2) 0.23591(19) 0.0249(7) Uani 1 1 d . . .
H22 H 0.7491 0.8298 0.2653 0.030 Uiso 1 1 calc R . .
C23 C 0.8514(3) 0.7685(2) 0.1993(2) 0.0307(8) Uani 1 1 d . . .
H23 H 0.8997 0.8117 0.2038 0.037 Uiso 1 1 calc R . .
C24 C 0.8724(3) 0.6960(2) 0.1563(2) 0.0328(9) Uani 1 1 d . . .
H24 H 0.9353 0.6889 0.1325 0.039 Uiso 1 1 calc R . .
C25 C 0.7990(3) 0.6327(2) 0.1482(2) 0.0330(8) Uani 1 1 d . . .
H25 H 0.8116 0.5827 0.1175 0.040 Uiso 1 1 calc R . .
C26 C 0.7077(3) 0.6427(2) 0.1848(2) 0.0276(8) Uani 1 1 d . . .
H26 H 0.6591 0.5992 0.1787 0.033 Uiso 1 1 calc R . .
C31 C 0.2328(3) 0.82610(19) 0.2963(2) 0.0238(7) Uani 1 1 d . . .
C32 C 0.2482(3) 0.8975(2) 0.3550(2) 0.0329(8) Uani 1 1 d . . .
H32 H 0.3123 0.9283 0.3621 0.040 Uiso 1 1 calc R . .
C33 C 0.1702(3) 0.9244(2) 0.4038(2) 0.0397(9) Uani 1 1 d . . .
H33 H 0.1818 0.9734 0.4431 0.048 Uiso 1 1 calc R . .
C34 C 0.0754(3) 0.8796(2) 0.3949(2) 0.0374(9) Uani 1 1 d . . .
H34 H 0.0227 0.8983 0.4276 0.045 Uiso 1 1 calc R . .
C35 C 0.0588(3) 0.8077(2) 0.3380(2) 0.0343(9) Uani 1 1 d . . .
H35 H -0.0049 0.7767 0.3322 0.041 Uiso 1 1 calc R . .
C36 C 0.1363(3) 0.7810(2) 0.2890(2) 0.0300(8) Uani 1 1 d . . .
H36 H 0.1242 0.7318 0.2501 0.036 Uiso 1 1 calc R . .
C41 C 0.6770(3) 0.6562(2) 0.4015(2) 0.0291(8) Uani 1 1 d . . .
C42 C 0.6731(3) 0.8349(2) 0.4553(2) 0.0297(8) Uani 1 1 d . . .
C43 C 0.7842(3) 0.6582(2) 0.3676(2) 0.0341(9) Uani 1 1 d . . .
H43A H 0.8120 0.6109 0.3622 0.051 Uiso 1 1 calc R . .
H43B H 0.8294 0.7024 0.4013 0.051 Uiso 1 1 calc R . .
H43C H 0.7783 0.6625 0.3179 0.051 Uiso 1 1 calc R . .
C44 C 0.6115(3) 0.5803(2) 0.3527(2) 0.0387(9) Uani 1 1 d . . .
H44A H 0.6476 0.5369 0.3485 0.058 Uiso 1 1 calc R . .
H44B H 0.5987 0.5810 0.3022 0.058 Uiso 1 1 calc R . .
H44C H 0.5467 0.5751 0.3764 0.058 Uiso 1 1 calc R . .
C45 C 0.6894(3) 0.6583(3) 0.4833(2) 0.0411(10) Uani 1 1 d . . .
H45A H 0.6225 0.6564 0.5051 0.062 Uiso 1 1 calc R . .
H45B H 0.7321 0.7057 0.5139 0.062 Uiso 1 1 calc R . .
H45C H 0.7213 0.6140 0.4827 0.062 Uiso 1 1 calc R . .
C46 C 0.6234(3) 0.8918(2) 0.4289(2) 0.0401(10) Uani 1 1 d . . .
H46A H 0.6492 0.9446 0.4613 0.060 Uiso 1 1 calc R . .
H46B H 0.5496 0.8831 0.4323 0.060 Uiso 1 1 calc R . .
H46C H 0.6400 0.8837 0.3765 0.060 Uiso 1 1 calc R . .
C47 C 0.6569(3) 0.8544(2) 0.5413(2) 0.0407(10) Uani 1 1 d . . .
H47A H 0.6827 0.8159 0.5572 0.061 Uiso 1 1 calc R . .
H47B H 0.5843 0.8544 0.5507 0.061 Uiso 1 1 calc R . .
H47C H 0.6936 0.9052 0.5700 0.061 Uiso 1 1 calc R . .
C48 C 0.7891(3) 0.8450(2) 0.4439(2) 0.0384(9) Uani 1 1 d . . .
H48A H 0.8159 0.8997 0.4644 0.058 Uiso 1 1 calc R . .
H48B H 0.8017 0.8238 0.3898 0.058 Uiso 1 1 calc R . .
H48C H 0.8230 0.8178 0.4702 0.058 Uiso 1 1 calc R . .
C51 C 0.1949(2) 0.8068(2) 0.0902(2) 0.0253(7) Uani 1 1 d . . .
C52 C 0.3820(3) 0.93414(19) 0.1694(2) 0.0296(8) Uani 1 1 d . . .
C53 C 0.1159(3) 0.8522(2) 0.1394(2) 0.0326(8) Uani 1 1 d . . .
H53A H 0.0477 0.8287 0.1176 0.049 Uiso 1 1 calc R . .
H53B H 0.1274 0.9053 0.1414 0.049 Uiso 1 1 calc R . .
H53C H 0.1221 0.8517 0.1906 0.049 Uiso 1 1 calc R . .
C54 C 0.1981(3) 0.8209(3) 0.0142(2) 0.0361(9) Uani 1 1 d . . .
H54A H 0.1319 0.8016 -0.0129 0.054 Uiso 1 1 calc R . .
H54B H 0.2505 0.7940 -0.0168 0.054 Uiso 1 1 calc R . .
H54C H 0.2137 0.8760 0.0246 0.054 Uiso 1 1 calc R . .
C55 C 0.1609(3) 0.7200(2) 0.0735(2) 0.0315(8) Uani 1 1 d . . .
H55A H 0.1578 0.7108 0.1211 0.047 Uiso 1 1 calc R . .
H55B H 0.2097 0.6898 0.0412 0.047 Uiso 1 1 calc R . .
H55C H 0.0936 0.7048 0.0477 0.047 Uiso 1 1 calc R . .
C58 C 0.4144(3) 0.9574(2) 0.1010(2) 0.0462(11) Uani 1 1 d . . .
H58A H 0.3552 0.9484 0.0669 0.069 Uiso 1 1 calc R . .
H58B H 0.4662 0.9265 0.0738 0.069 Uiso 1 1 calc R . .
H58C H 0.4422 1.0118 0.1191 0.069 Uiso 1 1 calc R . .
C56 C 0.3082(3) 0.9878(2) 0.2156(3) 0.0471(11) Uani 1 1 d . . .
H56A H 0.2762 0.9672 0.2521 0.071 Uiso 1 1 calc R . .
H56B H 0.2558 0.9917 0.1816 0.071 Uiso 1 1 calc R . .
H56C H 0.3455 1.0388 0.2427 0.071 Uiso 1 1 calc R . .
C57 C 0.4786(3) 0.9449(2) 0.2202(2) 0.0413(10) Uani 1 1 d . . .
H57A H 0.5138 0.9971 0.2331 0.062 Uiso 1 1 calc R . .
H57B H 0.5239 0.9079 0.1928 0.062 Uiso 1 1 calc R . .
H57C H 0.4588 0.9363 0.2666 0.062 Uiso 1 1 calc R . .
Pd3 Pd 0.073212(18) 0.793311(14) -0.251110(14) 0.01928(6) Uani 1 1 d . . .
Pd4 Pd -0.150959(18) 0.741607(14) -0.208094(14) 0.01918(6) Uani 1 1 d . . .
P3 P 0.11740(6) 0.84479(5) -0.34061(5) 0.01986(17) Uani 1 1 d . . .
P4 P -0.19791(6) 0.74693(5) -0.09195(5) 0.01979(17) Uani 1 1 d . . .
O5 O 0.00610(16) 0.74630(12) -0.17066(13) 0.0214(5) Uani 1 1 d . . .
C61 C 0.0102(2) 0.67420(19) -0.17188(19) 0.0213(7) Uani 1 1 d . . .
C62 C 0.0569(2) 0.6203(2) -0.2288(2) 0.0253(7) Uani 1 1 d . . .
H62 H 0.0886 0.6334 -0.2681 0.030 Uiso 1 1 calc R . .
C63 C 0.0566(3) 0.5469(2) -0.2272(2) 0.0296(8) Uani 1 1 d . . .
H63 H 0.0889 0.5105 -0.2658 0.035 Uiso 1 1 calc R . .
C64 C 0.0096(3) 0.5248(2) -0.1700(2) 0.0295(8) Uani 1 1 d . . .
H64 H 0.0104 0.4745 -0.1700 0.035 Uiso 1 1 calc R . .
C65 C -0.0378(2) 0.5781(2) -0.1135(2) 0.0249(7) Uani 1 1 d . . .
C66 C -0.0396(2) 0.65320(19) -0.11328(19) 0.0220(7) Uani 1 1 d . . .
O6 O -0.08642(19) 0.56204(13) -0.05470(14) 0.0294(6) Uani 1 1 d . . .
C67 C -0.1118(3) 0.4822(2) -0.0637(2) 0.0385(9) Uani 1 1 d . . .
H67A H -0.1521 0.4548 -0.1109 0.058 Uiso 1 1 calc R . .
H67B H -0.1512 0.4786 -0.0211 0.058 Uiso 1 1 calc R . .
H67C H -0.0494 0.4593 -0.0652 0.058 Uiso 1 1 calc R . .
C68 C -0.0907(2) 0.71247(19) -0.05406(19) 0.0216(7) Uani 1 1 d . . .
H68A H -0.0393 0.7571 -0.0276 0.026 Uiso 1 1 calc R . .
H68B H -0.1175 0.6907 -0.0164 0.026 Uiso 1 1 calc R . .
O7 O -0.07889(16) 0.75417(13) -0.30338(13) 0.0216(5) Uani 1 1 d . . .
C72 C -0.1059(2) 0.6203(2) -0.3852(2) 0.0250(7) Uani 1 1 d . . .
H72 H -0.1347 0.6049 -0.3463 0.030 Uiso 1 1 calc R . .
C71 C -0.0743(2) 0.69845(19) -0.37161(19) 0.0213(7) Uani 1 1 d . . .
C73 C -0.0944(3) 0.5663(2) -0.4561(2) 0.0272(8) Uani 1 1 d . . .
H73 H -0.1150 0.5136 -0.4652 0.033 Uiso 1 1 calc R . .
C74 C -0.0529(3) 0.5880(2) -0.5149(2) 0.0275(8) Uani 1 1 d . . .
H74 H -0.0461 0.5504 -0.5633 0.033 Uiso 1 1 calc R . .
C75 C -0.0314(2) 0.72141(19) -0.42989(19) 0.0226(7) Uani 1 1 d . . .
C76 C -0.0216(2) 0.6663(2) -0.5009(2) 0.0258(7) Uani 1 1 d . . .
O8 O 0.02295(18) 0.69443(14) -0.55342(13) 0.0290(5) Uani 1 1 d . . .
C77 C 0.0597(4) 0.6409(3) -0.6191(3) 0.0485(11) Uani 1 1 d . . .
H77A H 0.0972 0.6064 -0.6045 0.073 Uiso 1 1 calc R . .
H77B H 0.1049 0.6685 -0.6444 0.073 Uiso 1 1 calc R . .
H77C H 0.0024 0.6108 -0.6536 0.073 Uiso 1 1 calc R . .
C78 C 0.0066(2) 0.80595(19) -0.41124(19) 0.0228(7) Uani 1 1 d . . .
H78A H -0.0500 0.8360 -0.3912 0.027 Uiso 1 1 calc R . .
H78B H 0.0267 0.8137 -0.4585 0.027 Uiso 1 1 calc R . .
C81 C 0.2108(2) 0.8232(2) -0.19693(19) 0.0231(7) Uani 1 1 d . . .
C82 C 0.2766(3) 0.7675(2) -0.2085(2) 0.0266(8) Uani 1 1 d . . .
H82 H 0.2571 0.7171 -0.2438 0.032 Uiso 1 1 calc R . .
C83 C 0.3707(3) 0.7852(2) -0.1686(2) 0.0284(8) Uani 1 1 d . . .
H83 H 0.4132 0.7463 -0.1770 0.034 Uiso 1 1 calc R . .
C84 C 0.4026(3) 0.8580(2) -0.1173(2) 0.0295(8) Uani 1 1 d . . .
H84 H 0.4673 0.8700 -0.0919 0.035 Uiso 1 1 calc R . .
C85 C 0.3375(3) 0.9135(2) -0.1038(2) 0.0316(8) Uani 1 1 d . . .
H85 H 0.3575 0.9637 -0.0680 0.038 Uiso 1 1 calc R . .
C86 C 0.2423(3) 0.8960(2) -0.14256(19) 0.0255(7) Uani 1 1 d . . .
H86 H 0.1985 0.9344 -0.1316 0.031 Uiso 1 1 calc R . .
C91 C -0.2891(2) 0.7318(2) -0.25573(19) 0.0229(7) Uani 1 1 d . . .
C92 C -0.3460(3) 0.6595(2) -0.2935(2) 0.0293(8) Uani 1 1 d . . .
H92 H -0.3207 0.6147 -0.2930 0.035 Uiso 1 1 calc R . .
C93 C -0.4384(3) 0.6519(2) -0.3318(2) 0.0340(9) Uani 1 1 d . . .
H93 H -0.4753 0.6024 -0.3561 0.041 Uiso 1 1 calc R . .
C94 C -0.4771(3) 0.7159(2) -0.3347(2) 0.0353(9) Uani 1 1 d . . .
H94 H -0.5401 0.7108 -0.3605 0.042 Uiso 1 1 calc R . .
C95 C -0.4207(3) 0.7880(2) -0.2985(2) 0.0334(9) Uani 1 1 d . . .
H95 H -0.4455 0.8326 -0.3000 0.040 Uiso 1 1 calc R . .
C96 C -0.3284(3) 0.7952(2) -0.2601(2) 0.0288(8) Uani 1 1 d . . .
H96 H -0.2913 0.8448 -0.2364 0.035 Uiso 1 1 calc R . .
C100 C 0.2342(2) 0.8167(2) -0.3962(2) 0.0250(7) Uani 1 1 d . . .
C101 C 0.3352(3) 0.8545(2) -0.3486(2) 0.0299(8) Uani 1 1 d . . .
H10A H 0.3919 0.8301 -0.3758 0.045 Uiso 1 1 calc R . .
H10B H 0.3309 0.8479 -0.2997 0.045 Uiso 1 1 calc R . .
H10C H 0.3460 0.9094 -0.3403 0.045 Uiso 1 1 calc R . .
C102 C 0.2378(3) 0.8357(2) -0.4692(2) 0.0347(9) Uani 1 1 d . . .
H10D H 0.2954 0.8152 -0.4984 0.052 Uiso 1 1 calc R . .
H10E H 0.2456 0.8915 -0.4557 0.052 Uiso 1 1 calc R . .
H10F H 0.1746 0.8125 -0.4996 0.052 Uiso 1 1 calc R . .
C103 C 0.2269(3) 0.7285(2) -0.4175(2) 0.0314(8) Uani 1 1 d . . .
H10G H 0.1657 0.7033 -0.4496 0.047 Uiso 1 1 calc R . .
H10H H 0.2237 0.7165 -0.3714 0.047 Uiso 1 1 calc R . .
H10I H 0.2869 0.7102 -0.4449 0.047 Uiso 1 1 calc R . .
C104 C -0.3165(3) 0.6869(2) -0.0776(2) 0.0269(8) Uani 1 1 d . . .
C107 C -0.4141(3) 0.7087(2) -0.1048(2) 0.0343(9) Uani 1 1 d . . .
H10J H -0.4712 0.6689 -0.1090 0.051 Uiso 1 1 calc R . .
H10K H -0.4037 0.7131 -0.1543 0.051 Uiso 1 1 calc R . .
H10L H -0.4290 0.7580 -0.0684 0.051 Uiso 1 1 calc R . .
C105 C -0.3278(3) 0.6900(3) 0.0047(2) 0.0376(9) Uani 1 1 d . . .
H10M H -0.3880 0.6553 0.0070 0.056 Uiso 1 1 calc R . .
H10N H -0.3352 0.7425 0.0379 0.056 Uiso 1 1 calc R . .
H10O H -0.2674 0.6743 0.0211 0.056 Uiso 1 1 calc R . .
C106 C -0.3045(3) 0.6037(2) -0.1288(2) 0.0312(8) Uani 1 1 d . . .
H10P H -0.2502 0.5859 -0.1075 0.047 Uiso 1 1 calc R . .
H10Q H -0.2873 0.6022 -0.1795 0.047 Uiso 1 1 calc R . .
H10R H -0.3684 0.5703 -0.1319 0.047 Uiso 1 1 calc R . .
C108 C -0.1889(3) 0.8516(2) -0.0287(2) 0.0304(8) Uani 1 1 d . . .
C111 C -0.1749(4) 0.8653(2) 0.0567(2) 0.0426(10) Uani 1 1 d . . .
H11A H -0.1687 0.9205 0.0862 0.064 Uiso 1 1 calc R . .
H11B H -0.1134 0.8453 0.0650 0.064 Uiso 1 1 calc R . .
H11C H -0.2338 0.8388 0.0725 0.064 Uiso 1 1 calc R . .
C109 C -0.0959(4) 0.8944(2) -0.0529(3) 0.0492(11) Uani 1 1 d . . .
H10S H -0.1054 0.8876 -0.1062 0.074 Uiso 1 1 calc R . .
H10T H -0.0344 0.8735 -0.0460 0.074 Uiso 1 1 calc R . .
H10U H -0.0892 0.9492 -0.0219 0.074 Uiso 1 1 calc R . .
C110 C -0.2841(4) 0.8851(2) -0.0415(3) 0.0512(12) Uani 1 1 d . . .
H11D H -0.2709 0.9412 -0.0204 0.077 Uiso 1 1 calc R . .
H11E H -0.3412 0.8675 -0.0163 0.077 Uiso 1 1 calc R . .
H11F H -0.3007 0.8678 -0.0957 0.077 Uiso 1 1 calc R . .
C112 C 0.1107(3) 0.9519(2) -0.3077(2) 0.0278(8) Uani 1 1 d . . .
C113 C 0.2120(3) 1.0005(2) -0.2676(2) 0.0352(9) Uani 1 1 d . . .
H11A H 0.2001 1.0534 -0.2395 0.053 Uiso 1 1 calc R . .
H11B H 0.2624 1.0000 -0.3056 0.053 Uiso 1 1 calc R . .
H11C H 0.2371 0.9786 -0.2326 0.053 Uiso 1 1 calc R . .
C114 C 0.0818(3) 0.9786(2) -0.3722(2) 0.0383(9) Uani 1 1 d . . .
H11D H 0.0142 0.9531 -0.3938 0.057 Uiso 1 1 calc R . .
H11E H 0.1315 0.9654 -0.4116 0.057 Uiso 1 1 calc R . .
H11F H 0.0814 1.0343 -0.3521 0.057 Uiso 1 1 calc R . .
C115 C 0.0268(3) 0.9662(2) -0.2494(2) 0.0360(9) Uani 1 1 d . . .
H11G H 0.0161 1.0203 -0.2321 0.054 Uiso 1 1 calc R . .
H11H H 0.0475 0.9539 -0.2062 0.054 Uiso 1 1 calc R . .
H11I H -0.0365 0.9337 -0.2730 0.054 Uiso 1 1 calc R . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 C21 1.954(3) . ?
Pd1 O3 2.097(2) . ?
Pd1 O1 2.119(2) . ?
Pd1 P2 2.2334(8) . ?
Pd1 Pd2 3.1615(4) . ?
Pd2 C31 1.952(3) . ?
Pd2 O1 2.099(2) . ?
Pd2 O3 2.117(2) . ?
Pd2 P1 2.2308(8) . ?
P1 C18 1.821(3) . ?
P1 C52 1.859(3) . ?
P1 C51 1.872(3) . ?
P2 C8 1.836(3) . ?
P2 C41 1.858(3) . ?
P2 C42 1.864(3) . ?
O1 C1 1.340(3) . ?
C1 C6 1.385(4) . ?
C1 C2 1.394(4) . ?
C2 C3 1.395(4) . ?
C2 C8 1.491(4) . ?
C3 O2 1.369(4) . ?
C3 C4 1.370(4) . ?
C4 C5 1.387(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.374(4) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
O2 C7 1.418(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
O3 C11 1.322(4) . ?
C11 C12 1.382(4) . ?
C11 C16 1.401(4) . ?
C12 C13 1.362(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.381(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.372(5) . ?
C14 H14 0.9300 . ?
C15 O4 1.370(4) . ?
C15 C16 1.386(5) . ?
C16 C18 1.479(4) . ?
O4 C17 1.405(5) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C21 C26 1.369(5) . ?
C21 C22 1.406(4) . ?
C22 C23 1.352(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.351(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.376(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.367(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C32 1.367(5) . ?
C31 C36 1.396(5) . ?
C32 C33 1.376(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.372(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.359(6) . ?
C34 H34 0.9300 . ?
C35 C36 1.371(5) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C41 C45 1.517(5) . ?
C41 C44 1.518(5) . ?
C41 C43 1.531(5) . ?
C42 C46 1.520(5) . ?
C42 C48 1.522(5) . ?
C42 C47 1.528(5) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C51 C53 1.501(5) . ?
C51 C55 1.525(5) . ?
C51 C54 1.526(5) . ?
C52 C56 1.504(6) . ?
C52 C58 1.526(5) . ?
C52 C57 1.526(5) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
Pd3 C81 1.975(3) . ?
Pd3 O5 2.118(2) . ?
Pd3 O7 2.132(2) . ?
Pd3 P3 2.2358(8) . ?
Pd3 Pd4 3.1450(4) . ?
Pd4 C91 1.969(3) . ?
Pd4 O7 2.073(2) . ?
Pd4 O5 2.146(2) . ?
Pd4 P4 2.2134(9) . ?
P3 C78 1.845(3) . ?
P3 C100 1.856(4) . ?
P3 C112 1.861(4) . ?
P4 C68 1.847(3) . ?
P4 C108 1.855(4) . ?
P4 C104 1.860(3) . ?
O5 C61 1.331(4) . ?
C61 C62 1.367(5) . ?
C61 C66 1.411(4) . ?
C62 C63 1.366(5) . ?
C62 H62 0.9300 . ?
C63 C64 1.384(5) . ?
C63 H63 0.9300 . ?
C64 C65 1.362(5) . ?
C64 H64 0.9300 . ?
C65 O6 1.366(4) . ?
C65 C66 1.387(4) . ?
C66 C68 1.470(5) . ?
O6 C67 1.417(4) . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
O7 C71 1.322(4) . ?
C72 C73 1.358(5) . ?
C72 C71 1.379(4) . ?
C72 H72 0.9300 . ?
C71 C75 1.390(4) . ?
C73 C74 1.381(5) . ?
C73 H73 0.9300 . ?
C74 C76 1.379(5) . ?
C74 H74 0.9300 . ?
C75 C76 1.364(5) . ?
C75 C78 1.490(4) . ?
C76 O8 1.358(4) . ?
O8 C77 1.393(5) . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C81 C86 1.372(5) . ?
C81 C82 1.379(5) . ?
C82 C83 1.376(5) . ?
C82 H82 0.9300 . ?
C83 C84 1.352(5) . ?
C83 H83 0.9300 . ?
C84 C85 1.365(5) . ?
C84 H84 0.9300 . ?
C85 C86 1.380(5) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C91 C96 1.363(5) . ?
C91 C92 1.381(5) . ?
C92 C93 1.368(5) . ?
C92 H92 0.9300 . ?
C93 C94 1.360(5) . ?
C93 H93 0.9300 . ?
C94 C95 1.371(5) . ?
C94 H94 0.9300 . ?
C95 C96 1.370(5) . ?
C95 H95 0.9300 . ?
C96 H96 0.9300 . ?
C100 C102 1.519(5) . ?
C100 C103 1.520(5) . ?
C100 C101 1.529(4) . ?
C101 H10A 0.9600 . ?
C101 H10B 0.9600 . ?
C101 H10C 0.9600 . ?
C102 H10D 0.9600 . ?
C102 H10E 0.9600 . ?
C102 H10F 0.9600 . ?
C103 H10G 0.9600 . ?
C103 H10H 0.9600 . ?
C103 H10I 0.9600 . ?
C104 C106 1.515(5) . ?
C104 C105 1.518(5) . ?
C104 C107 1.523(5) . ?
C107 H10J 0.9600 . ?
C107 H10K 0.9600 . ?
C107 H10L 0.9600 . ?
C105 H10M 0.9600 . ?
C105 H10N 0.9600 . ?
C105 H10O 0.9600 . ?
C106 H10P 0.9600 . ?
C106 H10Q 0.9600 . ?
C106 H10R 0.9600 . ?
C108 C110 1.509(5) . ?
C108 C109 1.517(5) . ?
C108 C111 1.524(5) . ?
C111 H11A 0.9600 . ?
C111 H11B 0.9600 . ?
C111 H11C 0.9600 . ?
C109 H10S 0.9600 . ?
C109 H10T 0.9600 . ?
C109 H10U 0.9600 . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C110 H11F 0.9600 . ?
C112 C115 1.513(5) . ?
C112 C114 1.520(5) . ?
C112 C113 1.527(5) . ?
C113 H11A 0.9600 . ?
C113 H11B 0.9600 . ?
C113 H11C 0.9600 . ?
C114 H11D 0.9600 . ?
C114 H11E 0.9600 . ?
C114 H11F 0.9600 . ?
C115 H11G 0.9600 . ?
C115 H11H 0.9600 . ?
C115 H11I 0.9600 . ?
